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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Tetrahedral Zn 2+ doping LiNi 0.6 Mn 0.2 Co 0.2 O 2 improves discharge capacity retention by altering surface Ni valence during cycling and preventing oxygen evolution

5 mol-% Zn 2+ was added to the co-precipitation synthesis of LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) to understand Zn's effect on the structural and electronic properties of NMC622. Zn is determined to successfully dope into the NMC crystal lattice as there is an increase in d-spacing along the [003], [104], and [110] directions and an increase in molar volume (100.75 cm 3 mol -1 for NMC622 and 101.00 cm 3 mol -1 for Zn-NMC). Through XPS, Zn is determined to dope on the tetrahedral 6c Wyckoff site in the NMC structure and TEM-EDS reveals that despite a slight ZnO impurity phase, 1.4 mol-% Zn successfully dopes into the crystal structure. Furthermore, cyclic voltammetry shows a suppressed anodic wave associated with oxygen evolution and EIS demonstrates that Zn-doped NMC decreases charge transfer resistance and increases Li diffusion by an order of magnitude. After the formation cycles, NMC has a higher 1 C accessible capacity, 141 mAh/g, over Zn-NMC (132 mAh/g), but after long term cycling Zn-NMC has a higher accessible capacity (117 mAh/g compared to 96 mAh/g for NMC) and increases discharge capacity retention by 18% leading to longer cycle life.

Electrochemistry↗
DOE OSTI2023

Reaction dynamics and in-medium nucleon-nucleon cross section with 12 C+ 1 H at 95 MeV/nucleon

Reaction dynamics and effective in-medium nucleon-nucleon (NN) cross section are studied, using the antisymmetrized molecular dynamics (AMD) model with one of the simplest heavy ion collisions, 12 C+ ⁢1 H. The roles of different stochastic processes are studied, which are installed in the original AMD. One is the diffusion process as a part of the quantum fluctuation originated from the Fermi motion during the time evolution of the wave packets in the mean field (AMD/D). The second is a coalescence treatment for light clusters with A ≤ 8 (AMD/D-COALS). The third is the collision process, installed in AMD with different form of the in-medium NN cross sections. These different processes are examined, using the experimental angular distributions and energy spectra of light charged particles and intermediate mass fragments. The effective in-medium NN cross sections are evaluated from the simulated AMD events and compared with the experimentally extracted values. A good agreement is obtained between the AMD values from the 12 C + 1 H reaction at 95 MeV/nucleon and the experimental results for nuclear matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1994

The structure of mass-loading shocks. 1: Comets

A new multifluid model to describe the solar wind-cometary ion plasma in the outer cometary coma is derived. This model is distinguished from previous multifluid models in that wave-particle effects are included explicitly. By considering hydrodynamic timescales, self-consistent dissipative terms (which correspond to the spatial diffusion of cometary ions) are derived, thereby allowing the structure of a cometary bow shock to be resolved. In the hypersonic limit, our diffusive multifluid model reveals an attractive connection to the one-fluid model formulated by Biermann et al. (1967), a connection which serves as an important guide when investigating our more complicated nonhypersonic diffusive model. The detailed model consists of cometary ions diffusing in a warm solar wind which is heated by the dissipation of Alfvenic turbulence (in situ and generated by the initial ring beam distribution). The quasi-parallel cometary shock is found to be at least an order of magnitude thicker than a quasi-perpendicular cometary shock. It is furthermore found that for undisturbed solar wind (sonic) Mach numbers in excess of approximately 6, the cometary bow shock (for both perpendicular and parallel cases) is smoothed completely by the cometary ions and no 'proton' or thermal subshock is necessary. Finally, a detailed comparison of the model with the plasma observations made at Halley by Giotto is undertaken. It is found that the observed shock structure, thickness, location, and plasma parameters compare well with the predictions of the theoretical model, particularly in the case of the quasi-parallel shock.

Zank, G. P.↗
NASA NTRS2009

The Time-Dependent Structure of the Electron Reconnection Layer

Collisionless magnetic reconnection is often associated with time-dependent behavior. Specifically, current layers in the diffusion region can become unstable to tearing-type instabilities on one hand, or to instabilities with current-aligned wave vectors on the other. In the former case, the growth of tearing instabilities typically leads to the production of magnetic islands, which potentially provide feedback on the reconnection process itself, as well as on the rate of reconnection. The second class of instabilities tend to modulate the current layer along the direction of the current flow, for instance generating kink-type perturbations, or smaller-scale turbulence with the potential to broaden the current layer. All of these processes contribute to rendering magnetic reconnection time-dependent. In this presentation, we will provide a summary of these effects, and a discussion of how much they contribute to the overall magnetic reconnection rate.

Hesse, Michael↗
NASA NTRS2016

The Impacts of Dry Dynamic Cores on Asymmetric Hurricane Intensification

The fundamental pathways for tropical cyclone (TC) intensification are explored by considering axisymmetric and asymmetric impulsive thermal perturbations to balanced, TC-like vortices using the dynamic cores of three different nonlinear numerical models. Attempts at reproducing the results of previous work, which used the community WRF Model, revealed a discrepancy with the impacts of purely asymmetric thermal forcing. The current study finds that thermal asymmetries can have an important, largely positive role on the vortex intensification, whereas other studies find that asymmetric impacts are negligible. Analysis of the spectral energetics of each numerical model indicates that the vortex response to asymmetric thermal perturbations is significantly damped in WRF relative to the other models. Spectral kinetic energy budgets show that this anomalous damping is primarily due to the increased removal of kinetic energy from the vertical divergence of the vertical pressure flux, which is related to the flux of inertia-gravity wave energy. The increased kinetic energy in the other two models is shown to originate around the scales of the heating and propagate upscale with time from nonlinear effects. For very large thermal amplitudes (50 K), the anomalous removal of kinetic energy due to inertia-gravity wave activity is much smaller, resulting in good agreement between models. The results of this paper indicate that the numerical treatment of small-scale processes that project strongly onto inertia-gravity wave energy can lead to significant differences in asymmetric TC intensification. Sensitivity tests with different time integration schemes suggest that diffusion entering into the implicit solution procedure is partly responsible for the anomalous damping of energy.

Guimond, Stephen R.↗
NASA NTRSDate not supplied

How Auroral Electron Precipitations Contribute to the Formation of Electron Heat Fluxes to the Ionosphere?

Electron heat fluxes (also called electron thermal fluxes) in the ionosphere are carried by thermal electrons whose energy is below a few eV. Electron heat fluxes greatly impact on electron temperature, which is a fundamental parameter in the ionospheric dynamics. At the high latitude in the auroral regions electron heat flux is originated dominantly from the magnetosphere through high-energy electron energy fluxes. High-energy electron fluxes in the diffuse auroral region can undergo multiple backscatters between the magnetically conjugated regions of both hemispheres, and different kind of wave-particle interactions along the magnetic field line. High-energy electron fluxes in discrete auroral region can be trapped below the auroral acceleration region and can also undergo backscatter and multiple reflection. These processes, in turn, amplify super-thermal electrons (<~500-600 eV) that dominantly form electron heat fluxes through Coulomb collision between thermal electrons. Such electron heat fluxes play an important role to determine electron temperature profile in the ionosphere, which is one of the key parameters that controls the ionospheric dynamics. Thus, it is necessary to include electron heat flux as a topside energy input in all global ionospheric models. We demonstrate all above results based on Superthermal Electron Transport (STET), Superthermal Proton, Electron and Atomic Hydrogen tRansport in the Ionosphere and Thermosphere (SPEAH-RIT), and Comprehensive Inner Magnetosphere and Ionospheres (CIMI) codes developed at NASA Goddard Space Flight Center.

George V. Khazanov↗
DOE OSTI2024

Phase-space entropy cascade and irreversibility of stochastic heating in nearly collisionless plasma turbulence

We consider a nearly collisionless plasma consisting of a species of “test particles” in one spatial and one velocity dimension, stirred by an externally imposed stochastic electric field—a kinetic analog of the Kraichnan model of passive advection. The mean effect on the particle distribution function is turbulent diffusion in velocity space—known as stochastic heating. Accompanying this heating is the generation of fine-scale structure in the distribution function, which we characterize with the collisionless (Casimir) invariant C 2 ∝ ∫ ∫ d x d v 〈 f 2 〉 —a quantity that here plays the role of (negative) entropy of the distribution function. We find that C 2 is transferred from large scales to small scales in both position and velocity space via a phase-space cascade enabled by both particle streaming and nonlinear interactions between particles and the stochastic electric field. We compute the steady-state fluxes and spectrum of C 2 in Fourier space, with k and s denoting spatial and velocity wave numbers, respectively. In our model, the nonlinearity in the evolution equation for the spectrum turns into a fractional Laplacian operator in k space, leading to anomalous diffusion. Whereas even the linear phase mixing alone would lead to a constant flux of C 2 to high s (towards the collisional dissipation range) at every k , the nonlinearity accelerates this cascade by intertwining velocity and position space so that the flux of C 2 is to both high k and high s simultaneously. Integrating over velocity (spatial) wave numbers, the k -space ( s -space) flux of C 2 is constant down to a dissipation length (velocity) scale that tends to zero as the collision frequency does, even though the rate of collisional dissipation remains finite. The resulting spectrum in the inertial range is a self-similar function in the ( k , s ) plane, with power-law asymptotics at large k and s . Our model is fully analytically solvable, but the asymptotic scalings of the spectrum can also be found via a simple phenomenological theory whose key assumption is that the cascade is governed by a “critical balance” in phase space between the linear and nonlinear timescales. We argue that stochastic heating is made irreversible by this entropy cascade and that, while collisional dissipation accessed via phase mixing occurs only at small spatial scales rather than at every scale as it would in a linear system, the cascade makes phase mixing even more effective overall in the nonlinear regime than in the linear one. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Numerical Modeling and Dynamic Analysis of a Wave-Powered Reverse-Osmosis System

A wave energy converter (WEC) system has the potential to convert the wave energy resource directly into the high-pressure flow that is needed by the desalination system to pump saltwater to the reverse-osmosis membrane and provide the required pressure level to generate freshwater. In this study, a wave-to-water numerical model was developed to investigate the potential use of a wave-powered desalination system (WPDS) for water production. The model was developed by coupling a time-domain radiation-and-diffraction method-based numerical tool (WEC-Sim) for predicting the hydrodynamic performance of WECs with a solution-diffusion model that was used to simulate the reverse-osmosis (RO) process. The objective of this research is to evaluate the WPDS dynamics and the overall efficiency of the system. To evaluate the feasibility of the WPDS, the wave-to-water numerical model was applied to simulate a desalination system that used an oscillating surge WEC device to pump seawater through the system. The hydrodynamics WEC-Sim simulation results for the oscillating surge WEC device were validated against existing experimental data. The RO simulation was verified by comparing the results to those from the Dow Chemical Company’s reverse osmosis system analysis (ROSA) model, which has been widely used to design and simulate RO systems. The wave-to-water model was then used to analyze the WPDS under a range of wave conditions and for a two-WECs-coupled RO system to evaluate the influence of pressure and flow rate fluctuation on the WPDS performance. The results show that the instantaneous energy fluctuation from waves has a significant influence on the responding hydraulic pressure and flow rate, as well as the recovery ratio and, ultimately, the water-production quality. Nevertheless, it is possible to reduce the hydraulic fluctuation for different sea states while maintaining a certain level of freshwater production, and a WEC array that produces water can be a viable, near-term solution to the nation’s water supply. A discussion on the dynamic impact of hydraulic fluctuation on the WPDS performance and potential options to reduce the fluctuation and their trade-offs is also presented.

16 TIDAL AND WAVE POWER↗
DOE OSTI2026

Modeling thermal radiation waves in silica plasmas for the Mooncat NIF experiment

The Mooncat experiment on the National Ignition Facility uses a laser-driven hohlraum to create a thermal radiation wave in a titanium-doped silica plasma. The titanium dopant enables absorption spectroscopy measurements to infer the temperature of the wave as it propagates. This measurement can be used to constrain multi-physics simulation codes to better understand when simulations do not match an experiment. In this paper, we present radiation-hydrodynamics simulations of the thermal radiation wave in the first full-platform shots of the Mooncat experiment. We examine the important parameters of the simulation, focusing on the radiation temperature source, the material model of the silica plasma as it pertains to radiation transport, and lateral leakage through a beryllium tube enclosing the silica. We compare different simulation modeling strategies to an analytic model of diffusive radiation transport and find that the simulation agrees with the analytic model when it is sufficiently simplified. These simulations show how radiation energy couples to matter to develop a shock wave in a radiative heat wave, an important topic in astrophysics and nuclear fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

The role of high-order electron correlation effects in a model system for non-valence correlation-bound anions

The diffusion Monte Carlo (DMC), auxiliary field quantum Monte Carlo (AFQMC), and equation-of-motion coupled cluster (EOM-CC) methods are used to calculate the electron binding energy (EBE) of the non-valence anion state of a model (H2O)4 cluster. Two geometries are considered, one at which the anion is unbound and the other at which it is bound in the Hartree–Fock (HF) approximation. It is demonstrated that DMC calculations can recover from the use of a HF trial wave function that has collapsed onto a discretized continuum solution, although larger EBEs are obtained when using a trial wave function for the anion that provides a more realistic description of the charge distribution and, hence, of the nodal surface. For the geometry at which the cluster has a non-valence correlation-bound anion, both the inclusion of triples in the EOM-CC method and the inclusion of supplemental diffuse d functions in the basis set are important. DMC calculations with suitable trial wave functions give EBE values in good agreement with our best estimate EOM-CC result. AFQMC using a trial wave function for the anion with a realistic electron density gives a value of the EBE nearly identical to the EOM-CC result when using the same basis set. For the geometry at which the anion is bound in the HF approximation, the inclusion of triple excitations in the EOM-CC calculations is much less important. The best estimate EOM-CC EBE value is in good agreement with the results of DMC calculations with appropriate trial wave functions.

Upadhyay, Shiv (ORCID:0000000285010501)↗
DOE OSTI2022

Ionization waves in low-current dc discharges in noble gases obtained with a hybrid kinetic-fluid model

A hybrid kinetic-fluid model is used to study ionization waves (striations) in a low-current plasma column of dc discharges in noble gases. Coupled solutions of a kinetic equation for electrons, a drift-diffusion equation for ions, and a Poisson equation for the electric field are obtained to clarify the nature of plasma stratification in the positive column. A simplified two-level excitation-ionization model is used for the conditions when the nonlinear effects due to stepwise ionization, gas heating, and Coulomb interactions among electrons are negligible. It is confirmed that the nonlocal effects are responsible for the formation of moving striations in dc discharges at low plasma densities and low values of pR (the product of gas pressure and tube radius). Here, the calculated properties of self-excited waves of S–, P–, and R types in neon and S type in argon agree with available experimental data. The reason for helium plasma stability to stratification is clarified. It is shown that sustaining stratified plasma is more efficient than striation-free plasma when the ionization rate is a nonlinear function of the electric field. However, the nonlinear dependence of the ionization rate on the electric field is not required for plasma stratification. Striations of S–, P–, and R types in neon exist with minimal or no ionization enhancement. Effects of the column length and plasma density on the wave properties are demonstrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Neutron diffraction: a primer

Because of the neutron’s special properties, neutron diffraction may be considered one of the most powerful techniques for structure determination of crystalline and related matter. Neutrons can be released from nuclear fission, from spallation processes, and also from low-energy nuclear reactions, and they can then be used in powder, time-of-flight, texture, single crystal, and other techniques, all of which are perfectly suited to clarify crystal and magnetic structures. With high neutron flux and sufficient brilliance, neutron diffraction also excels for diffuse scattering, for in situ and operando studies as well as for high-pressure experiments of today’s materials. For these, the wave-like neutron’s infinite advantage (isotope specific, magnetic) is crucial to answering important scientific questions, for example, on the structure and dynamics of light atoms in energy conversion and storage materials, magnetic matter, or protein structures. In this primer, we summarize the current state of neutron diffraction (and how it came to be), but also look at recent advances and new ideas, e.g., the design of new instruments, and what follows from that.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetic structure of triangular lattice compound Tb2Ni0.90Si2.94

AlB 2 -type ternary intermetallic compound Tb 2 Ni 0.90 Si 2.94 (space group P 6=mmm, hP 3, No. 191) was reported to exhibit spin freezing behaviour of the ferromagnetic clusters present in the system below T f = 9:9 K, along with the presence of spatially limited antiferromagnetic phase. In this work, on the basis of variable temperature zero-field neutron diffraction measurements, we have shown that the antiferromagnetic phase transition occurs for the compound below T N ~13 K. Neutron diffraction study indicates ab-plane non-collinear sine-modulated antiferromagnetic ordering of the system with wave vectors of k 1 = [±1/6, ±1/6, 0] and k 2 = [±1/3, ±1/3, 0] down to 1.7 K. The weak and diffuse nature of the magnetic Bragg peaks along with limited coherence length further confirm the short-range nature of the antiferromagnetic phase in this compound.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Clean and Convenient Tessellations for Number Counting Jastrow Factors

We introduce a basis of counting functions that, by cleanly tessellating three-dimensional space, allows real space number counting Jastrow factors to be straightforwardly applied to general molecular situations. Here, by exerting direct control over electron populations in local regions of space and encoding pairwise correlations between these populations, these Jastrow factors allow even very simple reference wave functions to adopt nodal surfaces well suited to many strongly correlated settings. Being trivially compatible with traditional Jastrow factors and diffusion Monte Carlo and having the same cubic per-sample cost scaling as a single determinant trial function, these Jastrow factors thus offer a powerful new route to the simultaneous capture of weak and strong electron correlation effects in a wide variety of molecular and materials settings. In multiple strongly correlated molecular examples, we show that even when paired with the simplest possible single determinant reference, these Jastrow factors allow quantum Monte Carlo to out-perform coupled cluster theory and approach the accuracy of traditional multireference methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

A simple model for perturbative kinetic particle resonances in tokamaks

Resonances driven by particle distribution gradients are studied in a simple statistical model which does not involve advancing individual particles due to the interaction with the mode. The phase-space structure of resonances and the associated modification of density profiles in tokamaks are due to equilibration between the bounce averaging of particles within the resonance, which tends to locally flatten the distribution, particle collisions, which tend to re-establish the original density gradients, and wave background damping, which extracts energy from the mode. Modes are perturbatively driven while the distribution is irreversibly modified due to diffusion within the resonance, where local properties of the equilibrium and particle distribution are sufficient to determine the time evolution of a mode. As a result, simulations replicate the expected scaling with the collision frequency of mode saturation amplitudes and collisional broadening of the density modification and give reasonable agreement with saturation amplitudes given by full guiding center simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1974

Tidal waves within the thermosphere

The eigenfunctions of the atmosphere (the Hough functions within the lower atmosphere below about 100 km) change their structure and their propagation characteristics within the thermosphere due to dissipation effects such as heat conduction, viscosity, and ion drag. Wave dissipation can be parameterized to a first-order approximation by a complex frequency, the imaginary term of which simulates an effective ion drag force. It is shown how the equivalent depth, the attenuation, and the vertical wavelength of the predominant symmetric diurnal tidal modes change with height as functions of effective ion drag. The boundary conditions of tidal waves are discussed, and asymptotic solutions for the wave parameters like pressure, density, temperature, and wind generated by a heat input proportional to the mean pressure are given. Finally, diffusion effects upon the minor constituents within the thermosphere are described.

Volland, H.↗
NASA NTRS1976

Composition waves in the thermosphere

Neutral-composition waves excited by auroral heat sources are investigated. For horizontal wavelengths of the order of 1000 km, it is concluded that diffusion processes (1) play a significant role such that deviations from diffusive equilibrium prevail for He throughout the thermosphere; (2) produce phase differences of about 220 deg (or -140 deg) between He and N2, and (3) account for He amplitudes comparable to those of N2. These results basically explain recent AE-C satellite measurements which have revealed an anticorrelation between the heavier and lighter constituents of the thermosphere. The calculations also indicate that temperature and N2 concentration are generally out of phase by about 100 deg.

Mayr, H. G.↗